SCHEMBL9215423

SCHEMBL9215423

COC=C(C(=O)OC)c1csc2ccc(CP(=O)(OC)OC)cc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.36
TBXAS1 P24557 1/20 0.34
MTNR1A P48039 4/20 0.33
KLKB1 P03952 2/20 0.31
NFATC1 O95644 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9218481 0.91 PTK2 (0.38) PTK2TBXAS1MTNR1AKLKB1NFATC1
SCHEMBL9312295 0.90 TBXAS1 (0.34) TBXAS1MTNR1AKLKB1NFATC1KDM4E
SCHEMBL9209687 0.84 TBXAS1 (0.36) TBXAS1MTNR1AKLKB1NFATC1KDM4E
SCHEMBL9314703 0.81 TBXAS1 (0.35) TBXAS1MTNR1AKLKB1NFATC1KDM4E
SCHEMBL9220655 0.79 MAPT (0.41) MEN1MAPTKMT2A
SCHEMBL9215653 0.79 FFAR1 (0.47) MEN1KMT2A
SCHEMBL9220714 0.78 MTNR1A (0.47) MTNR1AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL9211264 0.77 ALDH1A1 (0.34) MTNR1AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL9219061 0.76 MAPT (0.43) MTNR1AKDM4ECYP1A2MAPTHPGD
SCHEMBL23987343 0.75 NR4A2 (0.40) KDM4EMEN1CYP1A2CYP2D6MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed